CID 9588056

Urea, 1-phenyl-3-((p-((4h-1,2,4-triazol-4-ylimino)methyl)phenoxy)acetyl)-

Structural Information

Molecular Formula
C18H16N6O3
SMILES
C1=CC=C(C=C1)NC(=O)NC(=O)COC2=CC=C(C=C2)/C=N/N3C=NN=C3
InChI
InChI=1S/C18H16N6O3/c25-17(23-18(26)22-15-4-2-1-3-5-15)11-27-16-8-6-14(7-9-16)10-21-24-12-19-20-13-24/h1-10,12-13H,11H2,(H2,22,23,25,26)/b21-10+
InChIKey
UGGNPYREVKEXAA-UFFVCSGVSA-N
Compound name
N-(phenylcarbamoyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1284 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13568 180.8
[M+Na]+ 387.11762 185.3
[M-H]- 363.12112 188.1
[M+NH4]+ 382.16222 189.5
[M+K]+ 403.09156 181.5
[M+H-H2O]+ 347.12566 168.5
[M+HCOO]- 409.12660 205.7
[M+CH3COO]- 423.14225 219.6
[M+Na-2H]- 385.10307 186.5
[M]+ 364.12785 181.6
[M]- 364.12895 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.